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triplets-spin contamination
Started by milianb |
0 Replies
7126 Views |
June 01, 2007, 11:38:31 AMby milianb |
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problems with S1 optimization
Started by jc3 |
1 Replies
7134 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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Spin-Orbit coupling
Started by plato |
0 Replies
7182 Views |
April 30, 2009, 10:38:58 PM by plato |
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3 Replies
7192 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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3 Replies
7307 Views |
October 21, 2015, 10:51:43 PM by christof.haettig |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
7342 Views |
September 15, 2012, 09:42:11 PM by Christof |
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TPSS supported by escf?
Started by marius |
2 Replies
7375 Views |
December 13, 2010, 04:13:30 PM by barbatti |
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1 Replies
7472 Views |
August 02, 2013, 03:48:13 PM by uwe |
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1 Replies
7482 Views |
June 02, 2008, 06:11:01 PM by christof.haettig |
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Parallel version?
Started by cb |
1 Replies
7605 Views |
September 21, 2007, 11:38:21 PM by turbomaster |
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2 Replies
7870 Views |
March 31, 2008, 11:51:31 AM by christof.haettig |
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1 Replies
7872 Views |
August 23, 2016, 03:03:00 AM by JakubV |
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3 Replies
8151 Views |
May 18, 2013, 11:55:51 AM by antti_karttunen |
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2 Replies
8168 Views |
December 09, 2011, 06:22:34 PM by biophys2012 |
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triplet excitations with dft and hf
Started by motago |
2 Replies
8200 Views |
February 27, 2009, 01:26:02 AM by motago |
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1 Replies
8212 Views |
June 16, 2008, 01:12:51 PM by christof.haettig |
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2 Replies
8425 Views |
December 16, 2009, 10:48:08 AM by Stephan |
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exited state polarizability
Started by lsikk |
2 Replies
8951 Views |
March 27, 2009, 02:57:09 PM by christof.haettig |
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1 Replies
9058 Views |
February 26, 2007, 08:53:26 AM by uwe |
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egrad error: nfun > 10
Started by sv |
4 Replies
9062 Views |
December 21, 2007, 11:43:47 AM by uwe |
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